alpha-Hydrastine
3-(9a-methyl-4,9-dihydro-3aH-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: alpha-Hydrastine|(-)-alpha-Hydrastine|(R-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone|1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))-|3-(9a-methyl-4,9-dihydro-3aH-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one
| Molecular Formula | C21H21NO6 |
|---|---|
| Molecular Weight | 383.1369 g/mol |
| LogP | 2.7818 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1369 |
| Monoisotopic Mass | 383.1369 |
| Heavy Atoms | 28 |
| Complexity | 959.90717 |
Chemical Identifiers
| CAS Number | 4370-85-8 |
|---|---|
| SMILES | CC12C(CC3=C(C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)C=CN=C3)OCO2 |
Product Overview
alpha-Hydrastine (CAS 4370-85-8), with molecular formula C21H21NO6 and molecular weight 383.1369 g/mol. IUPAC: 3-(9a-methyl-4,9-dihydro-3aH-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one.
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